NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1353 8.2544 119.6773 55.6380 31.4226 174.5953 6 Q 3.8932 8.3969 122.1227 55.0699 29.5106 170.2998 7 V 4.2048 9.1147 127.0662 62.6167 33.4703 174.5018 8 L 4.9376 8.9973 127.2156 52.9548 44.9475 175.4449 9 K 5.1328 8.5411 119.8376 54.9657 35.5192 175.5934 10 T 4.6740 8.6858 113.9694 59.2081 71.6843 173.3330 11 D 4.5376 8.7713 120.2798 57.4332 40.6219 178.2722 12 R 4.6787 8.2636 112.9197 55.3798 32.1049 174.8192 13 L 4.9961 7.8518 117.9388 53.1082 46.6960 175.0849 14 V 4.5837 9.0087 122.1795 61.1930 34.0559 174.3979 15 L 5.0523 9.1568 128.4247 53.3048 43.8529 174.7331 16 E 4.9440 9.0552 126.1491 53.3834 31.8136 173.4348 17 P 4.0010 0.0000 0.0000 63.1321 31.8544 175.9806 18 Q 3.3708 8.5129 123.8558 55.0890 29.5372 173.2106 19 S 5.1364 8.8023 116.2188 57.5837 63.3995 175.9358 *21 A 4.3237 9.1116 119.6134 51.7047 20.1883 178.8588 22 R 4.6192 7.7195 113.8297 56.1253 30.8985 178.4077 23 F 4.4776 8.4667 123.1901 61.8451 39.3869 176.2787 24 D 4.3364 8.3640 117.8551 57.5668 40.4615 178.5528 25 Q 3.9457 7.9587 118.3722 58.7641 29.2410 177.3847 26 W 4.2942 8.1460 128.6595 60.1128 31.2425 177.5167 27 F 4.0259 8.5018 120.8277 60.9494 38.3049 178.3387 28 A 3.8334 7.5571 119.2611 52.2693 18.3466 179.0109 *30 E 4.0954 8.2516 122.5863 57.8791 31.4503 178.4457 31 R 4.0730 7.4017 115.8391 57.9321 30.3249 177.3078 32 Q 4.0878 7.2855 114.0598 56.2445 29.1575 175.8113 33 R 3.9861 7.2546 117.9192 55.8317 29.5077 176.0358 34 D 4.6099 8.3318 126.7089 52.4052 40.0597 173.8571 35 E 4.6170 7.9982 118.0205 54.5640 33.7189 175.4497 36 A 4.2501 8.7644 126.9442 54.2186 18.7383 177.7131 37 G 3.9697 9.8162 110.9502 45.6328 0.0000 172.9644 38 H 4.7083 7.7374 114.2549 57.2136 31.1282 175.9108 39 R 3.9659 8.0906 115.1842 58.2712 29.3053 177.0373 40 D 4.9567 7.8340 116.6034 52.7388 39.7763 175.6235 41 L 4.3975 7.6173 120.1428 55.1353 42.2604 177.9294 42 T 4.3115 8.8947 114.4833 61.3747 70.8356 175.3728 43 E 3.5378 8.6953 121.3700 59.2297 29.5876 178.1514 44 D 4.3305 8.0468 117.7750 57.4175 41.3595 178.0690 45 Q 4.0827 8.4447 118.5034 58.8516 28.6403 178.6778 46 A 4.3546 8.2541 121.9523 54.9477 18.4120 179.4275 47 W 3.8550 8.7130 127.3595 60.7046 30.7726 178.2583 48 L 3.9585 8.5535 119.3017 57.6139 41.0351 179.5293 49 R 3.9212 8.3201 118.9564 59.3208 30.0716 178.3905 50 L 3.4990 8.0975 120.2940 57.9669 41.9151 178.4085 51 C 3.6940 7.9085 116.9006 62.8855 27.7990 176.1212 52 A 3.9429 7.7316 121.0343 55.0812 17.9935 179.5909 53 R 3.9821 7.4685 115.7634 59.4018 30.5462 178.7277 54 Q 4.3444 8.1057 119.5572 58.9185 29.0008 178.6834 55 G 3.6888 8.0102 104.6786 45.5086 0.0000 174.9524 *57 W 4.8419 7.9585 122.2782 56.5010 31.1561 177.3821 58 D 4.2693 8.3157 116.3903 57.1215 40.7993 177.1641 59 A 3.8777 7.7929 120.8140 53.9344 18.8759 177.4420 60 Y 4.4908 7.3359 109.9254 56.6144 39.7048 175.8574 61 A 4.1908 8.1043 121.4934 52.5147 16.8530 176.2820 62 C 4.0197 7.0005 110.5695 57.7548 33.7584 174.7775 63 G 4.1174 6.7549 105.5966 47.3596 0.0000 171.6615 64 F 4.7576 8.1645 120.4975 57.1814 41.1066 174.5679 65 Y 5.1034 8.9828 118.9480 56.2925 41.7378 174.7514 66 Y 4.8757 9.0534 121.0600 58.1184 39.5445 174.6800 67 L 5.0561 8.8353 124.2926 53.6326 42.9603 175.9261 68 L 4.9611 9.2956 125.3128 52.5362 44.7537 175.6497 69 D 4.6980 8.9146 123.8893 53.7905 41.4806 175.5923 70 P 4.2825 0.0000 0.0000 65.1770 31.7794 178.0111 71 V 3.8177 8.0009 117.6053 65.1984 31.7461 176.9392 72 S 4.3475 8.9136 113.0453 58.1231 63.6061 175.4980 73 G 4.0727 8.4767 108.7981 45.6150 0.0000 175.1756 74 E 4.5002 7.2435 125.6611 56.0342 28.4709 179.7824 *76 R 4.2859 8.6815 126.8225 55.9737 32.3174 175.8096 77 G 3.8932 7.0530 104.7303 46.2571 0.0000 170.9567 78 E 5.1764 8.3548 116.2042 55.8562 32.8408 174.0753 79 A 4.6433 7.9821 122.4636 50.8223 23.4409 175.8856 80 G 3.3379 6.0026 106.5051 45.2150 0.0000 172.0098 81 F 5.6160 8.0331 121.0273 55.7721 43.1343 174.3974 82 Q 4.9829 9.0687 118.9823 54.6693 32.6683 173.5191 83 F 4.8493 8.8473 117.9672 55.8120 41.7171 174.9525 84 R 4.6824 8.4964 120.8955 54.3128 34.7661 174.7118 85 R 5.1220 8.0885 118.6509 55.0515 30.0966 176.1902 86 R 3.8415 7.5993 115.6174 56.9004 30.8295 177.7812 87 G 3.7614 8.7888 106.5309 46.2127 0.0000 174.1293 88 F 4.7833 8.0334 116.1604 56.8043 39.3540 176.1267 89 G 4.1222 8.1620 108.0870 43.9560 0.0000 173.1410 90 P 4.5255 0.0000 0.0000 64.7821 31.5883 178.0593 91 G 3.8151 8.2569 107.2497 47.4398 0.0000 173.3118 92 F 4.5260 8.1687 118.7011 59.7503 41.3354 175.0720 93 D 4.6345 8.6397 119.5357 55.6486 41.0220 175.6838 94 N 4.2760 8.5332 117.6277 54.8751 36.7752 173.9960 95 H 4.8753 7.6905 112.1984 52.7921 32.2683 172.0867 96 P 3.1319 0.0000 0.0000 62.5049 32.2699 174.8253 97 E 4.9484 8.4772 126.1921 54.2106 31.5196 174.8839 98 A 4.8527 9.3643 129.5860 52.1523 19.7000 176.2728 99 A 4.4149 8.7763 120.8258 51.0779 23.1450 175.3665 100 W 5.4811 7.9035 114.9894 55.9776 31.1918 173.6674 101 A 4.7478 9.1164 121.4570 51.0993 22.5776 175.3454 102 V 4.9460 8.4560 121.3954 60.5148 34.1854 175.2075 103 A 4.1884 8.9656 129.6908 52.3303 19.2090 178.5882 104 S 4.0063 9.0783 115.6978 61.4790 63.0092 176.6925 105 A 4.0180 8.0645 122.1509 54.3653 18.1047 177.4128 106 H 4.8934 8.1328 110.5805 55.4321 29.9351 173.9800 107 Q 4.1714 7.8584 118.5999 56.9491 29.0285 176.1248 108 G 3.9112 8.8219 106.4271 46.6628 0.0000 174.3467 109 R 4.4173 7.9813 114.9533 55.2737 31.0727 176.7190 110 G 3.9179 8.2821 105.7893 46.3096 0.0000 175.6837 111 L 3.9233 7.9522 121.1768 57.6827 41.3292 179.2340 112 A 3.8342 7.8527 118.7187 54.8997 18.4497 178.9833 113 A 3.7897 7.6394 117.7478 55.1433 18.6584 178.9803 114 E 3.9823 8.0785 117.5087 59.2703 29.6829 179.1970 115 A 4.0220 7.8039 116.5983 53.2141 18.1589 178.5898 *117 Q 4.0492 7.9761 121.7820 57.2338 31.0488 177.3759 118 A 3.9947 7.6509 119.4451 55.1764 18.3261 179.6516 119 L 3.9270 7.9851 117.5867 57.8249 41.5823 179.7022 120 L 4.2411 7.9976 118.3638 57.8379 41.6622 179.2944 121 A 4.0115 8.0498 120.5491 55.2963 18.4280 179.1853 122 H 4.1420 8.3177 116.8617 59.5752 29.9697 177.0225 123 H 4.1163 8.5703 120.1272 59.2861 29.5716 176.8321 124 D 4.3021 8.2938 120.7827 57.6145 40.4650 179.1452 125 R 3.9095 7.5367 116.5631 59.2411 30.0956 179.2042 126 S 4.2828 7.7518 113.8561 61.0654 63.0255 175.5843 127 S 4.5334 7.4316 112.4141 57.3147 62.9441 173.9084 128 G 3.6567 8.1631 107.9967 47.2359 0.0000 173.5733 129 R 3.7078 7.9806 113.5174 56.2688 27.0678 174.6427 130 Q 4.3673 7.3453 116.8608 54.6030 30.8676 176.0080 131 R 4.1486 8.2629 119.1719 56.6975 30.6803 175.6609 132 V 4.6279 8.4291 124.9211 61.2197 35.2009 174.5327 133 V 5.3332 8.6641 118.5825 59.8773 35.7346 174.1094 134 A 4.9292 9.1707 121.6964 50.6945 22.9471 175.0050 135 L 5.0301 8.5491 122.0434 53.4060 44.2440 175.7628 136 I 4.7331 8.3687 125.9605 59.1374 41.8833 174.7104 137 A 3.9718 8.4289 127.4845 51.6715 18.8580 178.7348 138 R 3.7151 8.4693 122.9101 59.3162 30.2996 177.6708 139 S 4.4249 7.9347 109.3620 58.7126 63.6107 174.3883 140 N 4.7607 7.9052 122.5785 52.0147 37.5998 174.7303 141 L 3.9913 8.0029 123.4132 57.1842 42.2441 176.8184 142 P 4.2652 0.0000 0.0000 65.9178 31.2664 178.6192 143 S 4.3309 7.9812 110.3153 61.4501 62.2314 176.1865 144 L 4.0762 8.2018 121.7537 57.6239 41.1902 179.8007 145 R 3.9489 8.0053 118.3330 58.9567 30.1004 178.4975 146 L 3.8929 8.1603 120.0096 58.2593 42.0326 178.8926 147 A 4.1398 8.3419 120.5694 55.2914 18.3382 179.2766 148 E 4.4603 8.4803 118.5736 59.2277 29.3820 179.7423 149 R 3.9883 8.1552 117.4199 58.9848 30.2068 177.6534 150 L 4.3794 7.7310 116.5121 54.5955 42.0259 177.3129 151 G 4.0366 7.8586 106.9183 44.9306 0.0000 173.7780 152 F 4.8931 8.7329 119.3262 56.6151 40.8834 175.1532 153 R 4.8987 9.1253 120.7001 54.2034 34.2740 175.0053 154 G 4.2588 8.8916 110.3203 46.5699 0.0000 172.7942 155 Y 5.0290 8.4350 119.4995 56.1636 39.7734 174.7838 156 S 4.5437 7.0458 113.2191 57.5512 65.7732 172.9684 157 D 5.2746 8.4195 122.6525 51.7570 42.1306 175.2598 158 V 4.4958 8.6160 112.2453 59.7716 36.6908 173.7880 159 A 4.9269 8.4673 124.4939 51.0919 19.9793 176.9062 160 F 4.7197 9.0362 124.0430 57.7325 42.8873 173.7363 161 D 3.7841 8.6741 125.9839 55.3639 39.0034 174.4147 162 G 3.8966 8.9078 103.9088 45.5299 0.0000 173.4236 163 A 4.6379 7.7631 121.2785 50.0120 22.7067 175.4606 164 A 4.4931 8.4061 121.8686 52.4448 19.8380 176.5083 165 H 5.1690 9.2931 118.1164 54.0310 33.7060 172.4979 166 L 4.8263 8.8392 121.5532 53.3410 44.2170 175.4406 167 L 4.6474 8.3455 122.9972 53.4626 43.3068 175.8308 168 L 5.7318 9.1463 123.5447 53.0872 45.6442 175.2452 169 E 5.4614 9.7008 118.2099 54.9546 33.8430 174.0692 170 R 4.5771 8.5867 121.0518 55.2114 33.2475 175.2668 171 A 3.9556 8.5982 127.7414 52.7232 18.5717 176.9931 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 R 8.25 4.14 0.00 1.30 1.31 0.00 2.70 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.42 0.00 6 Q 8.40 3.89 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 7 V 9.11 4.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 8 L 9.00 4.94 0.00 1.51 1.47 0.67 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.54 5.13 0.00 1.59 1.66 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.40 7.81 10 T 8.69 4.67 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 11 D 8.77 4.54 0.00 2.67 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.26 4.68 0.00 1.90 1.88 0.00 3.12 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 13 L 7.85 5.00 0.00 1.47 1.49 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 V 9.01 4.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 15 L 9.16 5.05 0.00 1.51 1.47 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.06 4.94 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 17 P 0.00 4.00 0.00 1.17 0.49 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 18 Q 8.51 3.37 0.00 1.69 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 1.16 2.22 0.00 19 S 8.80 5.14 0.00 3.91 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 A 9.11 4.32 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.72 4.62 0.00 1.37 1.60 0.00 2.44 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 23 F 8.47 4.48 0.00 3.30 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.36 4.34 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.96 3.95 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 26 W 8.15 4.29 0.00 3.37 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.50 4.03 0.00 2.27 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.56 3.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 E 8.25 4.10 0.00 1.71 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 31 R 7.40 4.07 0.00 1.50 1.77 0.00 2.92 0.00 0.00 2.84 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.11 0.00 32 Q 7.29 4.09 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 33 R 7.25 3.99 0.00 1.78 2.00 0.00 3.16 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 34 D 8.33 4.61 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.00 4.62 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 36 A 8.76 4.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 9.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.74 4.71 0.00 3.27 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.09 3.97 0.00 1.94 2.23 0.00 3.00 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 40 D 7.83 4.96 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.62 4.40 0.00 1.80 1.87 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.89 4.31 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 E 8.70 3.54 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 44 D 8.05 4.33 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.44 4.08 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 46 A 8.25 4.35 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.71 3.85 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.55 3.96 0.00 1.77 1.73 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.32 3.92 0.00 2.03 2.46 0.00 3.69 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 50 L 8.10 3.50 0.00 1.08 1.29 0.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.91 3.69 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.73 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.47 3.98 0.00 1.81 1.98 0.00 3.21 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 54 Q 8.11 4.34 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 55 G 8.01 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 W 7.96 4.84 0.00 3.63 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.32 4.27 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.79 3.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.34 4.49 0.00 2.56 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.10 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 7.00 4.02 0.00 3.17 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 6.75 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.16 4.76 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.98 5.10 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.05 4.88 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.84 5.06 0.00 1.60 1.67 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.35 5.18 0.00 2.69 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.82 0.00 79 A 7.98 4.64 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 6.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.03 5.62 0.00 2.97 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.07 4.98 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 83 F 8.85 4.85 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.50 4.68 0.00 1.66 1.73 0.00 3.24 0.00 0.00 3.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 85 R 8.09 5.12 0.00 1.74 1.83 0.00 3.22 0.00 0.00 3.24 7.24 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 103 A 8.97 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.08 4.01 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.06 4.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.13 4.89 0.00 3.15 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.86 4.17 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 108 G 8.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.98 4.42 0.00 1.78 1.92 0.00 3.32 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 110 G 8.28 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.33 0.84 0.00 0.00 137 A 8.43 3.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.47 3.72 0.00 1.73 2.07 0.00 3.22 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 139 S 7.93 4.42 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 7.91 4.76 0.00 2.68 2.81 0.00 0.00 7.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.00 3.99 0.00 1.73 1.72 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.27 0.00 2.20 2.15 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 143 S 7.98 4.33 0.00 4.08 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.20 4.08 0.00 1.93 1.74 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.01 3.95 0.00 2.09 2.00 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 146 L 8.16 3.89 0.00 1.80 2.02 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.34 4.14 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.48 4.46 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 149 R 8.16 3.99 0.00 1.80 2.16 0.00 3.36 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 150 L 7.73 4.38 0.00 2.04 1.84 0.51 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.73 4.89 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 9.13 4.90 0.00 1.77 1.84 0.00 3.34 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 154 G 8.89 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.43 5.03 0.00 2.96 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.05 4.54 0.00 3.40 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.42 5.27 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.62 4.50 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.01 0.00 0.00 159 A 8.47 4.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 9.04 4.72 0.00 3.05 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.67 3.78 0.00 2.07 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.76 4.64 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.41 4.49 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 9.29 5.17 0.00 3.14 2.98 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.84 4.83 0.00 1.62 1.45 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.35 4.65 0.00 0.61 1.17 0.38 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 168 L 9.15 5.73 0.00 1.82 1.84 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 169 E 9.70 5.46 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.21 0.00 170 R 8.59 4.58 0.00 0.67 1.03 0.00 2.36 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.27 0.00 171 A 8.60 3.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.